N-Ethyl-N',N'-dimethyl-N-(3-phenylpropyl)-1,2-ethanediamine
CCN(CCCc1ccccc1)CCN(C)C
InChI=1S/C15H26N2/c1-4-17(14-13-16(2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3
ZYPVKPDOCXGLEH-UHFFFAOYSA-N
CSID:1552171, http://www.chemspider.com/Chemical-Structure.1552171.html (accessed 07:52, Mar 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.11 (Adapted Stein & Brown method) Melting Pt (deg C): 72.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000408 (Modified Grain method) Subcooled liquid VP: 0.00114 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 947.5 log Kow used: 2.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1388.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.54E-009 atm-m3/mole Group Method: 2.39E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.328E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.92 (KowWin est) Log Kaw used: -6.731 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.651 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4082 Biowin2 (Non-Linear Model) : 0.0840 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1188 (months ) Biowin4 (Primary Survey Model) : 2.8699 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0789 Biowin6 (MITI Non-Linear Model): 0.0378 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8031 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.152 Pa (0.00114 mm Hg) Log Koa (Koawin est ): 9.651 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.97E-005 Octanol/air (Koa) model: 0.0011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000712 Mackay model : 0.00158 Octanol/air (Koa) model: 0.0808 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 182.8421 E-12 cm3/molecule-sec Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.702 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00114 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.773E+004 Log Koc: 4.249 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.546 (BCF = 35.16) log Kow used: 2.92 (estimated) Volatilization from Water: Henry LC: 2.39E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.75E+005 hours (1.563E+004 days) Half-Life from Model Lake : 4.092E+006 hours (1.705E+005 days) Removal In Wastewater Treatment: Total removal: 5.07 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.95 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00964 1.4 1000 Water 12.3 1.44e+003 1000 Soil 87.4 2.88e+003 1000 Sediment 0.256 1.3e+004 0 Persistence Time: 2.26e+003 hr
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